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Magnesium in PDB 1wc1: Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas

Enzymatic activity of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas

All present enzymatic activity of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas:
4.6.1.1;

Protein crystallography data

The structure of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas, PDB code: 1wc1 was solved by C.Steegborn, T.N.Litvin, L.R.Levin, J.Buck, H.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.97 / 1.93
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 54.234, 78.899, 283.604, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 22.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas (pdb code 1wc1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas, PDB code: 1wc1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 1wc1

Go back to Magnesium Binding Sites List in 1wc1
Magnesium binding site 1 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1501

b:19.9
occ:1.00
 O2A A:TAT1500 2.0 23.4 1.0
OD1 A:ASP1017 2.1 22.6 1.0
O A:HOH2150 2.1 24.3 1.0
OD1 A:ASP1061 2.2 19.5 1.0
O1B A:TAT1500 2.3 27.1 1.0
O A:HOH2044 2.4 13.2 1.0
CG A:ASP1017 3.0 16.1 1.0
OD2 A:ASP1017 3.2 19.6 1.0
CG A:ASP1061 3.2 21.8 1.0
PA A:TAT1500 3.3 23.3 1.0
PB A:TAT1500 3.4 25.9 1.0
OD2 A:ASP1061 3.5 20.1 1.0
MG A:MG1502 3.5 16.6 1.0
O3A A:TAT1500 3.7 24.5 1.0
O2B A:TAT1500 3.8 28.3 1.0
O3' A:TAT1500 4.1 27.4 1.0
O A:HOH2104 4.2 31.2 1.0
CB A:ASP1017 4.4 15.6 1.0
S1G A:TAT1500 4.4 24.2 1.0
O A:VAL1059 4.4 17.3 1.0
O A:HOH2138 4.4 40.1 1.0
CB A:ALA1062 4.5 15.2 1.0
C3' A:TAT1500 4.5 25.6 1.0
O5' A:TAT1500 4.5 24.4 1.0
CB A:ASP1061 4.6 17.6 1.0
N A:ASP1061 4.6 17.6 1.0
O A:HOH2153 4.6 21.9 1.0
N A:ALA1062 4.7 17.3 1.0
O A:HOH2103 4.7 25.8 1.0
O3B A:TAT1500 4.8 29.1 1.0
C A:ASP1061 4.8 16.5 1.0
C5' A:TAT1500 4.9 24.7 1.0
CA A:ASP1061 4.9 19.3 1.0
O2G A:TAT1500 4.9 31.6 1.0

Magnesium binding site 2 out of 6 in 1wc1

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Magnesium binding site 2 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:16.6
occ:1.00
 OD2 A:ASP1061 2.0 20.1 1.0
OD2 A:ASP1017 2.0 19.6 1.0
O2G A:TAT1500 2.0 31.6 1.0
O A:ILE1018 2.1 17.1 1.0
O1B A:TAT1500 2.2 27.1 1.0
O A:HOH2153 2.2 21.9 1.0
CG A:ASP1061 3.0 21.8 1.0
CG A:ASP1017 3.1 16.1 1.0
PG A:TAT1500 3.2 30.6 1.0
C A:ILE1018 3.2 16.7 1.0
PB A:TAT1500 3.4 25.9 1.0
OD1 A:ASP1061 3.4 19.5 1.0
MG A:MG1501 3.5 19.9 1.0
O3B A:TAT1500 3.6 29.1 1.0
OD1 A:ASP1017 3.6 22.6 1.0
O1A A:TAT1500 3.7 32.5 1.0
N A:ILE1018 3.8 16.6 1.0
CA A:ILE1018 4.0 15.8 1.0
O A:HOH2011 4.1 22.1 1.0
C A:ASP1017 4.2 15.4 1.0
CB A:PHE1021 4.3 22.4 1.0
N A:VAL1019 4.3 18.2 1.0
O3A A:TAT1500 4.3 24.5 1.0
CB A:ASP1061 4.3 17.6 1.0
O A:HOH2103 4.4 25.8 1.0
CB A:ASP1017 4.4 15.6 1.0
O3G A:TAT1500 4.4 31.4 1.0
N A:PHE1021 4.5 22.9 1.0
O2B A:TAT1500 4.5 28.3 1.0
CB A:ILE1018 4.5 16.3 1.0
CA A:VAL1019 4.5 19.3 1.0
O A:ASP1017 4.6 17.5 1.0
N A:GLY1020 4.6 21.5 1.0
O2A A:TAT1500 4.6 23.4 1.0
O A:HOH2150 4.7 24.3 1.0
C A:VAL1019 4.8 19.8 1.0
CA A:ASP1017 4.8 15.3 1.0
O A:HOH2152 4.9 30.5 1.0
PA A:TAT1500 5.0 23.3 1.0

Magnesium binding site 3 out of 6 in 1wc1

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Magnesium binding site 3 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1501

b:22.8
occ:1.00
 O2A B:TAT1500 2.1 28.7 1.0
O B:HOH2028 2.1 19.1 1.0
OD1 B:ASP1017 2.1 20.4 1.0
O B:HOH2122 2.1 24.2 1.0
OD1 B:ASP1061 2.2 20.3 1.0
O1B B:TAT1500 2.5 32.4 1.0
CG B:ASP1017 3.0 19.1 1.0
CG B:ASP1061 3.3 20.9 1.0
OD2 B:ASP1017 3.3 18.1 1.0
MG B:MG1502 3.4 18.8 1.0
PA B:TAT1500 3.4 27.1 1.0
PB B:TAT1500 3.5 30.6 1.0
O2B B:TAT1500 3.6 30.1 1.0
OD2 B:ASP1061 3.7 21.2 1.0
O3A B:TAT1500 3.9 29.2 1.0
O3' B:TAT1500 4.0 33.4 1.0
CB B:ALA1062 4.2 19.9 1.0
O B:VAL1059 4.3 17.6 1.0
O C:HOH2074 4.3 43.1 1.0
O B:HOH2076 4.4 32.9 1.0
CB B:ASP1017 4.4 18.9 1.0
C3' B:TAT1500 4.4 28.9 1.0
S1G B:TAT1500 4.5 25.2 1.0
N B:ASP1061 4.5 18.4 1.0
N B:ALA1062 4.5 19.6 1.0
CB B:ASP1061 4.5 18.7 1.0
O5' B:TAT1500 4.6 30.3 1.0
C B:ASP1061 4.6 20.4 1.0
O B:HOH2121 4.7 23.6 1.0
CA B:ASP1061 4.8 20.0 1.0
O B:HOH2123 4.9 57.5 1.0
CA B:ALA1062 4.9 19.1 1.0
C5' B:TAT1500 4.9 27.3 1.0
O3B B:TAT1500 5.0 32.5 1.0
O B:HOH2077 5.0 38.0 1.0

Magnesium binding site 4 out of 6 in 1wc1

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Magnesium binding site 4 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1502

b:18.8
occ:1.00
 O1B B:TAT1500 1.9 32.4 1.0
OD2 B:ASP1061 1.9 21.2 1.0
OD2 B:ASP1017 1.9 18.1 1.0
O B:ILE1018 2.2 16.6 1.0
O B:HOH2121 2.3 23.6 1.0
O1A B:TAT1500 2.3 35.9 1.0
CG B:ASP1061 2.9 20.9 1.0
CG B:ASP1017 3.0 19.1 1.0
OD1 B:ASP1061 3.1 20.3 1.0
PB B:TAT1500 3.3 30.6 1.0
C B:ILE1018 3.3 17.5 1.0
MG B:MG1501 3.4 22.8 1.0
PG B:TAT1500 3.4 33.3 1.0
OD1 B:ASP1017 3.5 20.4 1.0
O3B B:TAT1500 3.7 32.5 1.0
O3G B:TAT1500 3.8 34.8 1.0
N B:ILE1018 3.8 17.4 1.0
CA B:ILE1018 4.1 17.3 1.0
O B:HOH2004 4.1 28.9 1.0
C B:ASP1017 4.2 18.6 1.0
O3A B:TAT1500 4.2 29.2 1.0
CB B:ASP1061 4.2 18.7 1.0
O2B B:TAT1500 4.3 30.1 1.0
CB B:ASP1017 4.3 18.9 1.0
CB B:PHE1021 4.3 28.6 1.0
N B:VAL1019 4.4 17.0 1.0
O2A B:TAT1500 4.4 28.7 1.0
N B:PHE1021 4.5 28.8 1.0
O B:HOH2077 4.5 38.0 1.0
O B:HOH2122 4.5 24.2 1.0
CB B:ILE1018 4.5 17.1 1.0
CA B:VAL1019 4.6 20.6 1.0
N B:GLY1020 4.7 24.6 1.0
O B:ASP1017 4.7 19.2 1.0
CA B:ASP1017 4.7 19.4 1.0
O2G B:TAT1500 4.8 36.7 1.0
PA B:TAT1500 4.8 27.1 1.0
O B:HOH2125 4.9 35.2 1.0
C B:VAL1019 4.9 23.2 1.0

Magnesium binding site 5 out of 6 in 1wc1

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Magnesium binding site 5 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1501

b:39.9
occ:1.00
 OD1 C:ASP1061 2.1 28.5 1.0
O2A C:TAT1500 2.1 40.5 1.0
OD1 C:ASP1017 2.1 32.3 1.0
O C:HOH2037 2.3 25.6 1.0
O1B C:TAT1500 2.5 44.1 1.0
O C:HOH2008 2.5 31.3 1.0
CG C:ASP1017 3.0 32.3 1.0
CG C:ASP1061 3.1 28.4 1.0
OD2 C:ASP1017 3.2 36.3 1.0
MG C:MG1502 3.3 33.4 1.0
OD2 C:ASP1061 3.4 26.8 1.0
PA C:TAT1500 3.4 40.2 1.0
PB C:TAT1500 3.5 43.1 1.0
O3A C:TAT1500 3.8 42.6 1.0
O2B C:TAT1500 3.9 41.2 1.0
CB C:ALA1062 4.3 24.3 1.0
O3' C:TAT1500 4.3 40.8 1.0
O C:VAL1059 4.3 27.1 1.0
CB C:ASP1017 4.3 32.0 1.0
CB C:ASP1061 4.4 25.8 1.0
N C:ASP1061 4.4 26.0 1.0
S1G C:TAT1500 4.4 38.5 1.0
O C:HOH2097 4.5 44.5 1.0
C C:ASP1061 4.5 25.9 1.0
N C:ALA1062 4.6 25.3 1.0
C3' C:TAT1500 4.6 37.2 1.0
O5' C:TAT1500 4.6 39.3 1.0
CA C:ASP1061 4.7 25.9 1.0
O C:ASP1061 4.9 26.9 1.0
C5' C:TAT1500 5.0 36.8 1.0
O3B C:TAT1500 5.0 45.1 1.0

Magnesium binding site 6 out of 6 in 1wc1

Go back to Magnesium Binding Sites List in 1wc1
Magnesium binding site 6 out of 6 in the Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Soluble Adenylyl Cyclase Cyac From S. Platensis in Complex with Rp-Atpalphas within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1502

b:33.4
occ:1.00
 O1B C:TAT1500 1.9 44.1 1.0
OD2 C:ASP1061 2.0 26.8 1.0
O C:HOH2097 2.0 44.5 1.0
OD2 C:ASP1017 2.1 36.3 1.0
O C:ILE1018 2.2 30.7 1.0
O3G C:TAT1500 2.3 46.9 1.0
CG C:ASP1061 3.0 28.4 1.0
CG C:ASP1017 3.1 32.3 1.0
PB C:TAT1500 3.2 43.1 1.0
MG C:MG1501 3.3 39.9 1.0
OD1 C:ASP1061 3.3 28.5 1.0
PG C:TAT1500 3.3 47.9 1.0
C C:ILE1018 3.3 31.9 1.0
OD1 C:ASP1017 3.4 32.3 1.0
O2G C:TAT1500 3.6 47.6 1.0
O3B C:TAT1500 3.7 45.1 1.0
N C:ILE1018 4.0 31.2 1.0
O3A C:TAT1500 4.1 42.6 1.0
CA C:ILE1018 4.2 31.8 1.0
CB C:PHE1021 4.2 46.0 1.0
O C:HOH2062 4.3 40.4 1.0
CB C:ASP1061 4.3 25.8 1.0
N C:VAL1019 4.3 31.5 1.0
O2B C:TAT1500 4.3 41.2 1.0
C C:ASP1017 4.3 31.6 1.0
CB C:ASP1017 4.4 32.0 1.0
O2A C:TAT1500 4.4 40.5 1.0
O C:HOH2076 4.5 40.2 1.0
CA C:VAL1019 4.5 33.3 1.0
CB C:ILE1018 4.6 31.9 1.0
N C:PHE1021 4.6 44.7 1.0
O C:HOH2008 4.7 31.3 1.0
O1A C:TAT1500 4.7 48.3 1.0
O C:ASP1017 4.7 32.6 1.0
PA C:TAT1500 4.8 40.2 1.0
N C:GLY1020 4.9 37.3 1.0
C C:VAL1019 4.9 34.4 1.0
CA C:ASP1017 4.9 29.6 1.0

Reference:

C.Steegborn, T.N.Litvin, L.R.Levin, J.Buck, H.Wu. Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment Nat.Struct.Mol.Biol. V. 12 32 2005.
ISSN: ISSN 1545-9993
PubMed: 15619637
DOI: 10.1038/NSMB880
Page generated: Tue Aug 13 17:13:45 2024

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